Geometry & MOs

Info

ID:

189902

PubChem CID:

77921555

Reduced:

FN3O6C28H32 (1)

Stoich.:

AB3C6D28E32 (1)

Weight, g/mol:

785.40335

ΔHf, kcal/mol:

-240.9

Dipole, Da:

6.28

IP(EA), eV:

 -9.02(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[1-acetyloxy-4-methyl-3-[3-methylbutanoyloxymethyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CN1CC(=O)N2CCCC2COC3=C(C=C(C=C3)F)C(=O)N(C(CCC1=O)C(=O)OCC4=CC=CC=C4)C

DOS

IR

Vibrations